5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid

C11H12N2O2S — CID 79684216

IUPAC5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid
SMILESCCn1cc(-c2cc(C(=O)O)cs2)c(C)n1
InChIInChI=1S/C11H12N2O2S/c1-3-13-5-9(7(2)12-13)10-4-8(6-16-10)11(14)15/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyCGINNCJAMADIIC-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.64
Rot. Bonds3

About 5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid

5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid (PubChem CID 79684216) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid
PubChem CID79684216
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid
SMILESCCn1cc(-c2cc(C(=O)O)cs2)c(C)n1
InChIInChI=1S/C11H12N2O2S/c1-3-13-5-9(7(2)12-13)10-4-8(6-16-10)11(14)15/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyCGINNCJAMADIIC-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(1-ethyl-3-methylpyrazol-4-yl)benzoic acid
CID 81308147
4-chloro-3-(1-ethyl-3-methylpyrazol-4-yl)benzoic acid
CID 114024744
5-(1-ethyl-3-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 19620906
2-[4-bromo-3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]acetic acid
CID 19621337
4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 6485376
5-[[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]methyl]furan-2-carboxylic acid
CID 19621345
1-ethyl-3-methyl-4-phenylpyrazole
CID 59678081
5-(4,5-dimethoxy-2-methylphenyl)thiophene-3-carboxylic acid
CID 98021688
3-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498363
1-[2-[[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502325
N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 19590809
5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid
CID 79684046

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid (CID 79684216) is 5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid is CCn1cc(-c2cc(C(=O)O)cs2)c(C)n1.
What is the InChIKey of 5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid?
The InChIKey is CGINNCJAMADIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-13-5-9(7(2)12-13)10-4-8(6-16-10)11(14)15/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid?
5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid has a molecular weight of 236.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-3-methylpyrazol-4-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 79684216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).